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Title: Magnetic properties of bimetallic clusters composed of Gd and transition metals

Gadolinium, a rare earth metal, is ferromagnetic, while Mn, a transition metal atom, is antiferromagnetic in the bulk phase. Clusters of these elements, however, share some common properties; both exhibit ferrimagnetic behavior and maintain magnetic moments close to their free atomic value. Using density functional theory and generalized gradient approximation for exchange and correlation, we have studied the magnetic properties of bimetallic clusters composed of Gd and Mn to see if they show unusual behavior. The coupling between Gd and Mn spins is found to be antiferromagnetic, while that between Mn atoms is ferromagnetic. Moreover, the bonding between Gd and Mn atoms is stronger than that between the Gd atoms or Mn atoms, thus enabling the possibility of creating more stable magnetic particles. In conclusion, a systematic study of the magnetic and binding properties of clusters composed of Gd atom and other transition metal atoms such as V, Sc, Ti, Cr, Fe, and Co is also carried out to probe the effect of 3 d-orbital occupation on magnetic coupling.
Authors:
 [1] ;  [2] ;  [3]
  1. Visva-Bharati, Santiniketan (India); Bolpur College, West Bengal (India)
  2. Visva-Bharati, Santiniketan (India)
  3. Virginia Commonwealth Univ., Richmond, VA (United States)
Publication Date:
Grant/Contract Number:
FG02-96ER45579; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 119; Journal Issue: 7; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Research Org:
Virginal Commonwealth Univ., Richmond, VA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1469676
Alternate Identifier(s):
OSTI ID: 1238075

Mukherjee, Prajna, Gupta, Bikash C., and Jena, Puru. Magnetic properties of bimetallic clusters composed of Gd and transition metals. United States: N. p., Web. doi:10.1063/1.4941826.
Mukherjee, Prajna, Gupta, Bikash C., & Jena, Puru. Magnetic properties of bimetallic clusters composed of Gd and transition metals. United States. doi:10.1063/1.4941826.
Mukherjee, Prajna, Gupta, Bikash C., and Jena, Puru. 2016. "Magnetic properties of bimetallic clusters composed of Gd and transition metals". United States. doi:10.1063/1.4941826. https://www.osti.gov/servlets/purl/1469676.
@article{osti_1469676,
title = {Magnetic properties of bimetallic clusters composed of Gd and transition metals},
author = {Mukherjee, Prajna and Gupta, Bikash C. and Jena, Puru},
abstractNote = {Gadolinium, a rare earth metal, is ferromagnetic, while Mn, a transition metal atom, is antiferromagnetic in the bulk phase. Clusters of these elements, however, share some common properties; both exhibit ferrimagnetic behavior and maintain magnetic moments close to their free atomic value. Using density functional theory and generalized gradient approximation for exchange and correlation, we have studied the magnetic properties of bimetallic clusters composed of Gd and Mn to see if they show unusual behavior. The coupling between Gd and Mn spins is found to be antiferromagnetic, while that between Mn atoms is ferromagnetic. Moreover, the bonding between Gd and Mn atoms is stronger than that between the Gd atoms or Mn atoms, thus enabling the possibility of creating more stable magnetic particles. In conclusion, a systematic study of the magnetic and binding properties of clusters composed of Gd atom and other transition metal atoms such as V, Sc, Ti, Cr, Fe, and Co is also carried out to probe the effect of 3d-orbital occupation on magnetic coupling.},
doi = {10.1063/1.4941826},
journal = {Journal of Applied Physics},
number = 7,
volume = 119,
place = {United States},
year = {2016},
month = {2}
}